Dear yamboers
I am trying to calculate the band gap using cohsex.
When I try to run yambo I obtain this the subject error
[ERROR] STOP signal received while in :[05] Dynamical Dielectric Matrix
[ERROR] n_t_CPU > n_blocks=M*(N+1)/2=0 with N=nkibz*n_eh_CPU and M=nkibz/n_k_CPU
I kind of understand/guess it is related to number of CPU.
Hence I a serial run goes through that step
[05] Dynamical Dielectric Matrix
================================
[RD./SAVE//ns.kb_pp_pwscf]----------------------------------
Fragmentation :yes
- S/N 001039 --------------------------- v.04.00.02 r.0090 -
[WARNING] [x,Vnl] slows the Dipoles computation. To neglect it rename the ns.kb_pp file
[WF] Performing Wave-Functions I/O from ./SAVE
How can I set a parallel calculation?
Cheers
Davide
dynamical electric matrix: [ERROR] n_t_CPU > n_blocks=M*(N+1
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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dynamical electric matrix: [ERROR] n_t_CPU > n_blocks=M*(N+1
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Laboratory of molecular simulation
EPFL, Switzerland
EPFL, Switzerland
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- Posts: 9
- Joined: Wed Nov 11, 2015 11:54 am
Re: dynamical electric matrix: [ERROR] n_t_CPU > n_blocks=M*
the error was on the parallelisation since I only have 1 q point
using parallelisation only on bands yambo works properly
Sorry about writing a silly post (I couldn't find a way to remove it from the forum)
using parallelisation only on bands yambo works properly
Sorry about writing a silly post (I couldn't find a way to remove it from the forum)
Laboratory of molecular simulation
EPFL, Switzerland
EPFL, Switzerland
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: dynamical electric matrix: [ERROR] n_t_CPU > n_blocks=M*
Dear Davide,
no need to remove it. I would leave it as it can be anyway useful for other users.
Best,
Daniele
no need to remove it. I would leave it as it can be anyway useful for other users.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/